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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -1192.7185375 | -1193.0616527 | 0.3431152 | 0.0000000 | 1193.0616527 | ||||||
| cm-1 | 816.1 | 706.2 | 109.9 | ||||||||
| eV | -32455.522 | 0.101 | -32455.421 | -32464.859 | 0.088 | -32464.771 | 9.337 | 0.014 | 9.350 | 0.000 | 32464.859 |